SCHEMBL12012147

SCHEMBL12012147

C=C(C)OC(=O)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1675734 0.83 F10 (0.54) F10
SCHEMBL803332 0.82 CKS1B (0.56) F10
SCHEMBL785158 0.79 F10 (0.53) F10
SCHEMBL12046788 0.79 DRD2 (0.54)
SCHEMBL7088909 0.74 F10 (0.48) F10
SCHEMBL13083096 0.74 F10 (0.47) F10
SCHEMBL5842753 0.74 BDKRB1 (0.51) F10
SCHEMBL785012 0.73 ROCK2 (0.54) F10
SCHEMBL8126582 0.73 F10 (0.49) F10
SCHEMBL23138432 0.73 DRD2 (0.50) F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 F10 525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.